Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | RAD52 | P43351 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL677653 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL29463710 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL12124161 | 0.83 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL29368234 | 0.81 | HTR2A (0.54) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL1264430 | 0.81 | HTR2A (0.54) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL3317872 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL8655957 | 0.79 | ALDH1A1 (0.44) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL3668935 | 0.79 | CYP2A6 (0.45) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL3673336 | 0.79 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL3669260 | 0.79 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119371013-A | Quaternary ammonium salt and preparation method and application thereof | 中国石油天然气股份有限公司 | 2025-01-28 | — | — | CN | claimed |
| CN-119371013-A | Quaternary ammonium salt and preparation method and application thereof | 中国石油天然气股份有限公司 | 2025-01-28 | — | — | CN | disclosed |